SCHEMBL5360639

SCHEMBL5360639

N#Cc1c(Cl)c(F)cc(C(=O)Cl)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ENPP2 Q13822 1/20 0.32
GPR35 Q9HC97 1/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5361238 0.86 KEAP1 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL7038698 0.84 CASP1 (0.39) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL5704378 0.84 TAS1R3 (0.35) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
Hydrochloric Acid SCHEMBL9475356 0.84 KEAP1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL8038013 0.81 ALDH1A1 (0.45) ALDH1A1ALOX15MAPTHPGDSMN1; SMN2
SCHEMBL5362826 0.78 ALDH1A1 (0.39) ALDH1A1ALOX15TAS1R3TAS1R1TAS1R2
SCHEMBL7038205 0.77 KEAP1 (0.43) TAS1R3TAS1R1TAS1R2CYP3A4TRPV4
SCHEMBL8754934 0.75 ALDH1A1 (0.43) ALDH1A1ALOX15MAPTHPGDSMN1; SMN2
SCHEMBL9790158 0.72 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL8048009 0.72 ALDH1A1 (0.41) ALDH1A1ALOX15MAPTHPGDKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114577940-A Purity analysis method of 2, 4-dichloro-3-cyano-5-fluorobenzoyl chloride 营口兴福化工有限公司 2022-06-03 CN claimed
US-7268248-B2 Bichlorinated compounds formed under with carboxy groupand elimation of water BAYER AKTIENGESELLSCHAFT (DE) 2007-09-11 US claimed
US-20040167350-A1 Bichlorinated compounds formed under with carboxy groupand elimation of water MARHOLD ALBRECHT (DE) 2004-08-26 US claimed
US-20030092929-A1 Using halogenated xylene compound; chemical intermediate for quinolone antibiotics MARHOLD ALBRECHT (DE) 2003-05-15 US claimed
EP-0977729-B1 3-CYANO-2,4,5-TRIFLUORO-BENZOYL FLUORIDE AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BAYER AG (DE) 2002-03-13 EP claimed
US-20010023300-A1 Preparing by reacting 3-cyano-2,4-dichloro-4-fluoro-benzoyl chloride nucleophilically with a fluoridizing agent; forming 3-cyano-2,4,5-trifluoro-benzoyl chloride from title compound; intermediates to antiinfective quinolonecarboxylic acids MARHOLD ALBRECHT (DE) 2001-09-20 US claimed
US-6229040-B1 USING FREE RADICAL CATALYSTS BAYER AKTIENGESELLSCHAFT (DE) 2001-05-08 US claimed
EP-0977729-A1 3-CYANO-2,4,5-TRIFLUORO-BENZOYL FLUORIDE AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BAYER AG (DE) 2000-02-09 EP claimed
WO-1998047862-A1 3-CYANO-2,4,5-TRIFLUORO-BENZOYL FLUORIDE AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BAYER AKTIENGESELLSCHAFT (DE) 1998-10-29 WO claimed
CN-111989314-B Method for hydrolyzing quinolone formate 拜耳动物保健有限责任公司 2024-04-30 CN disclosed
EP-3784656-B1 PROCESS FOR THE HYDROLYSIS OF QUINOLONE CARBOXYLIC ESTERS ELANCO ANIMAL HEALTH GMBH (DE) 2023-06-28 EP disclosed
CN-114577940-A Purity analysis method of 2, 4-dichloro-3-cyano-5-fluorobenzoyl chloride 营口兴福化工有限公司 2022-06-03 CN disclosed
CN-114577940-A Purity analysis method of 2, 4-dichloro-3-cyano-5-fluorobenzoyl chloride 营口兴福化工有限公司 2022-06-03 CN disclosed
CN-114577940-A Purity analysis method of 2, 4-dichloro-3-cyano-5-fluorobenzoyl chloride 营口兴福化工有限公司 2022-06-03 CN disclosed
WO-1998026779-A1 THE USE OF 7-(2-OXA-5,8-DIAZABICYCLO[4.3.0]NON-8-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDON CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF HELICOBACTER PYLORI INFECTIONS AND ASSOCIATED GASTRODUODENAL DISEASES BAYER AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed
WO-1998026768-A2 USE OF 7-(1-AMINOMETHYL-2-OXA-7-AZA-BICYCLO[3.3.0]OCT-7-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDONE CARBOXYLIC ACID DERIVATIVES FOR TREATING HELICOBACTER PYLORI INFECTIONS AND THE GASTRODUODENAL DISEASES ASSOCIATED THEREWITH BAYER AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed
US-5190955-A Bactericides, effective against antibiotic resistant germs BAYER AKTIENGESELLSCHAFT (DE) 1993-03-02 US disclosed
US-5051418-A Antibacterial 8-cyano-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1991-09-24 US disclosed
US-4908366-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1990-03-13 US disclosed
EP-0276700-A1 8-Cyano-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids, process for their preparation, and antibacterial agents containing them BAYER AG (DE) 1988-08-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040167350-A1 Bichlorinated compounds formed under with carboxy groupand elimation of water CLIC4, AFF4, CBR1 ALDH1A1 407/4885ALOX15 1016/4885TAS1R3 4317/4885
US-20010023300-A1 Preparing by reacting 3-cyano-2,4-dichloro-4-fluoro-benzoyl chloride nucleophilically with a fluoridizing agent; forming 3-cyano-2,4,5-trifluoro-benzoyl chloride from title compound; intermediates to antiinfective quinolonecarboxylic acids CLIC4, AFF4, CBR1 ALDH1A1 1360/4885ALOX15 768/4885TAS1R3 4735/4885
US-20030092929-A1 Using halogenated xylene compound; chemical intermediate for quinolone antibiotics CLIC4, FLI1, AFF4 ALDH1A1 1343/4885ALOX15 2100/4885TAS1R3 4564/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.